Consensus flow list

Identity

Type
Neutral molecule
CAS
555-16-8
EC
209-084-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-nitrobenzaldehyde

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BXRFQSNOROATLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
IUPAC name chemrof:IUPAC_name 4-nitrobenzaldehyde
Molecular formula chemrof:molecular_formula C7H5NO3
Molecular mass chemrof:molecular_mass 151.121
Monoisotopic mass chemrof:monoisotopic_mass 151.02694, 151.026943
SMILES string chemrof:smiles_string O=Cc1ccc([N+](=O)[O-])cc1

Known URLs

20

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=555-16-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66926 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.259 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022061 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6103 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164236 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NX859P8MB0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246531 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.618G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=64858 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-703 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/541 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19066862 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19360727 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22318956 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22803669 enrich_references.chebi_xrefs
reaxys reaxys:386796 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2816679 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Nitrobenzaldehyde enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3f10f518-54ef-44f7-8b9d-fcbff03d3c3a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d336b13e-5e08-42e8-8c95-e67861cc2645 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e8ac0449-361f-4d8f-bcd5-79a60cc0c4e7 Environmental → Air → Indoor EF 3.1 kg 2
d5c1cf4e-4206-4076-bcd5-f0cc54c3fbea Environmental → Air → Long-term EF 3.1 kg 0
d936bc86-fe1a-4df7-86a8-8d4f55101d2e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c89e2746-57e1-43ff-b3eb-0becf279ae04 Environmental → Air → Unknown EF 3.1 kg 2
eadfe649-e5f0-419a-ae94-dd5ea2da47ae Environmental → Ground → Agricultural EF 3.1 kg 2
5982a759-76c5-4a45-9265-d42f9709f08e Environmental → Ground → Non-agricultural EF 3.1 kg 2
d4222ca9-9f28-4437-a13a-45ecf537293b Environmental → Ground → Unknown EF 3.1 kg 2
b1786236-9ccf-4cf5-b093-5a2da373eb59 Environmental → Water → Long-term EF 3.1 kg 0
d76669eb-3c54-4602-be3d-58ce8363b168 Environmental → Water → Ocean EF 3.1 kg 2
2f216086-7c1c-48dd-8e2f-1812a708f18f Environmental → Water → Surface water EF 3.1 kg 2
04db9949-0bdc-44d0-a2b4-22506e90a4b4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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